SCHEMBL408370

SCHEMBL408370

COC(=O)C1CCC(c2nnc(-c3cccnc3)o2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
TNKS O95271 2/20 0.48
PARP1 P09874 2/20 0.48
PARP2 Q9UGN5 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
EGFR P00533 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL439177 1.00 ALDH1A1 (0.62) ALDH1A1TNKSPARP1PARP2SMN1; SMN2
SCHEMBL408245 0.87 TNKS (0.50) ALDH1A1TNKSPARP1PARP2KDM4E
SCHEMBL437121 0.87 TNKS (0.50) ALDH1A1TNKSPARP1PARP2KDM4E
SCHEMBL407361 0.86 ALDH1A1 (0.68) ALDH1A1TNKSPARP1PARP2SMN1; SMN2
SCHEMBL441020 0.86 ALDH1A1 (0.68) ALDH1A1TNKSPARP1PARP2SMN1; SMN2
SCHEMBL407317 0.80 TNKS (0.46) ALDH1A1TNKSPARP1PARP2KDM4E
SCHEMBL29988751 0.80 ALDH1A1 (0.60) ALDH1A1TNKSPARP1PARP2SMN1; SMN2
SCHEMBL4529674 0.79 PPARA (0.65) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL4529669 0.79 PPARA (0.65) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL442885 0.78 KDM4E (0.48) ALDH1A1TNKSPARP1PARP2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885TNKS 4718/4885PARP1 4556/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.